Molecule ID: mol8632

SMILES: COC[C@H]1OC(O)[C@H](N)[C@@H](OC)[C@@H]1OC

InChI: InChI=1S/C9H19NO5/c1-12-4-5-7(13-2)8(14-3)6(10)9(11)15-5/h5-9,11H,4,10H2,1-3H3/t5-,6-,7-,8-,9?/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.92 IUPAC digitized pKa 1 » 0
6.92 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization